Antibiotic A 16886A

AlkaPlorer ID: AK288212

Synonym: 7-(5-Amino-5-carboxyvaleramido)-3-(carbamoyloxymethyl)-3-cephem-4-carboxylic acid, Deacetyl-3-O-carbamoylcephalosporin C, A 16886A, A 16886II, WS 3442B, Antibiotic A 16886II, Antibiotic WS 3442B 

IUPAC Name: 7-[(5-amino-5-carboxypentanoyl)amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Structure

SMILES: NC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1

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InChI: InChI=1S/C15H20N4O8S/c16-7(13(22)23)2-1-3-8(20)18-9-11(21)19-10(14(24)25)6(4-27-15(17)26)5-28-12(9)19/h7,9,12H,1-5,16H2,(H2,17,26)(H,18,20)(H,22,23)(H,24,25)

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InChIKey: LSRDVUINCBDNAZ-UHFFFAOYSA-N

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Reference

PubChem CID: 5120276

CAS: 60831-57-4

COCONUT: CNP0221049.2

Properties Information

Molecule Weight: 416.4120000000002

TPSA: 202.35

MolLogP: -1.5974999999999964

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information